USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 478 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 GLN : amide:sc= -0.445 X(o=-0.45,f=-0.49) USER MOD Single : A 18 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.36) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -150:sc= -5.69 (180deg=-8.14!) USER MOD Single : A 27 SER OG : rot -96:sc= -1.64! USER MOD Single : A 33 CYS SG : rot 180:sc= 0.255 USER MOD Single : A 36 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3) USER MOD Single : A 37 ASN : amide:sc= -1.92! K(o=-1.9!,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.9 X(o=-2.9,f=-3.1!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.022 USER MOD Single : A 51 TYR OH : rot 180:sc= -2.33! USER MOD Single : A 52 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0668) USER MOD Single : A 55 THR OG1 : rot 84:sc= -1.13 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 15:sc= -1.13 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -103:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 3.606 -4.212 -4.382 1.00 0.00 N ATOM 31 CA GLN A 16 4.560 -5.233 -4.782 1.00 0.00 C ATOM 32 C GLN A 16 4.886 -5.100 -6.271 1.00 0.00 C ATOM 33 O GLN A 16 6.050 -5.159 -6.663 1.00 0.00 O ATOM 34 CB GLN A 16 4.033 -6.632 -4.459 1.00 0.00 C ATOM 35 CG GLN A 16 3.827 -6.806 -2.953 1.00 0.00 C ATOM 36 CD GLN A 16 5.072 -6.375 -2.175 1.00 0.00 C ATOM 37 OE1 GLN A 16 5.172 -5.264 -1.680 1.00 0.00 O ATOM 38 NE2 GLN A 16 6.012 -7.312 -2.096 1.00 0.00 N ATOM 0 HA GLN A 16 5.479 -5.087 -4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.090 -6.799 -4.980 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.735 -7.382 -4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.969 -6.216 -2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.599 -7.849 -2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.864 -8.221 -2.533 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.881 -7.121 -1.598 1.00 0.00 H new ATOM 47 N GLU A 17 3.837 -4.922 -7.060 1.00 0.00 N ATOM 48 CA GLU A 17 3.997 -4.780 -8.498 1.00 0.00 C ATOM 49 C GLU A 17 4.798 -3.517 -8.820 1.00 0.00 C ATOM 50 O GLU A 17 5.588 -3.502 -9.763 1.00 0.00 O ATOM 51 CB GLU A 17 2.639 -4.763 -9.202 1.00 0.00 C ATOM 52 CG GLU A 17 1.747 -3.650 -8.646 1.00 0.00 C ATOM 53 CD GLU A 17 0.537 -3.414 -9.552 1.00 0.00 C ATOM 54 OE1 GLU A 17 0.569 -3.778 -10.737 1.00 0.00 O ATOM 55 OE2 GLU A 17 -0.464 -2.831 -8.984 1.00 0.00 O ATOM 0 H GLU A 17 2.873 -4.873 -6.731 1.00 0.00 H new ATOM 0 HA GLU A 17 4.550 -5.642 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.782 -4.618 -10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.147 -5.727 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.410 -3.916 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.323 -2.729 -8.555 1.00 0.00 H new ATOM 63 N GLN A 18 4.567 -2.487 -8.019 1.00 0.00 N ATOM 64 CA GLN A 18 5.257 -1.223 -8.208 1.00 0.00 C ATOM 65 C GLN A 18 6.771 -1.428 -8.130 1.00 0.00 C ATOM 66 O GLN A 18 7.532 -0.716 -8.785 1.00 0.00 O ATOM 67 CB GLN A 18 4.791 -0.186 -7.184 1.00 0.00 C ATOM 68 CG GLN A 18 3.405 0.354 -7.542 1.00 0.00 C ATOM 69 CD GLN A 18 3.407 0.990 -8.934 1.00 0.00 C ATOM 70 OE1 GLN A 18 3.953 2.058 -9.156 1.00 0.00 O ATOM 71 NE2 GLN A 18 2.768 0.276 -9.856 1.00 0.00 N ATOM 0 H GLN A 18 3.911 -2.502 -7.238 1.00 0.00 H new ATOM 0 HA GLN A 18 5.012 -0.842 -9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.765 -0.636 -6.192 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.506 0.636 -7.142 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.676 -0.455 -7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.096 1.092 -6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.332 -0.611 -9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.714 0.615 -10.816 1.00 0.00 H new ATOM 80 N TRP A 19 7.164 -2.403 -7.324 1.00 0.00 N ATOM 81 CA TRP A 19 8.573 -2.711 -7.153 1.00 0.00 C ATOM 82 C TRP A 19 9.178 -2.946 -8.539 1.00 0.00 C ATOM 83 O TRP A 19 10.294 -2.510 -8.815 1.00 0.00 O ATOM 84 CB TRP A 19 8.764 -3.898 -6.208 1.00 0.00 C ATOM 85 CG TRP A 19 10.226 -4.302 -6.003 1.00 0.00 C ATOM 86 CD1 TRP A 19 11.262 -3.515 -5.680 1.00 0.00 C ATOM 87 CD2 TRP A 19 10.776 -5.631 -6.120 1.00 0.00 C ATOM 88 NE1 TRP A 19 12.434 -4.236 -5.581 1.00 0.00 N ATOM 89 CE2 TRP A 19 12.129 -5.564 -5.857 1.00 0.00 C ATOM 90 CE3 TRP A 19 10.151 -6.849 -6.438 1.00 0.00 C ATOM 91 CZ2 TRP A 19 12.971 -6.682 -5.885 1.00 0.00 C ATOM 92 CZ3 TRP A 19 11.006 -7.957 -6.462 1.00 0.00 C ATOM 93 CH2 TRP A 19 12.370 -7.907 -6.200 1.00 0.00 C ATOM 0 H TRP A 19 6.530 -2.990 -6.782 1.00 0.00 H new ATOM 0 HA TRP A 19 9.095 -1.878 -6.682 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.326 -3.653 -5.240 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.213 -4.753 -6.599 1.00 0.00 H new ATOM 0 HD1 TRP A 19 11.188 -2.450 -5.518 1.00 0.00 H new ATOM 0 HE1 TRP A 19 13.355 -3.863 -5.348 1.00 0.00 H new ATOM 0 HE3 TRP A 19 9.094 -6.924 -6.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 14.027 -6.604 -5.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 10.576 -8.918 -6.701 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.963 -8.808 -6.239 1.00 0.00 H new ATOM 104 N ALA A 20 8.413 -3.636 -9.373 1.00 0.00 N ATOM 105 CA ALA A 20 8.859 -3.934 -10.723 1.00 0.00 C ATOM 106 C ALA A 20 9.027 -2.627 -11.501 1.00 0.00 C ATOM 107 O ALA A 20 10.044 -2.419 -12.161 1.00 0.00 O ATOM 108 CB ALA A 20 7.866 -4.887 -11.391 1.00 0.00 C ATOM 0 H ALA A 20 7.488 -3.997 -9.140 1.00 0.00 H new ATOM 0 HA ALA A 20 9.828 -4.433 -10.705 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.201 -5.110 -12.404 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.806 -5.811 -10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.882 -4.419 -11.429 1.00 0.00 H new ATOM 114 N MET A 21 8.013 -1.781 -11.398 1.00 0.00 N ATOM 115 CA MET A 21 8.035 -0.500 -12.084 1.00 0.00 C ATOM 116 C MET A 21 9.337 0.251 -11.801 1.00 0.00 C ATOM 117 O MET A 21 9.828 0.993 -12.651 1.00 0.00 O ATOM 118 CB MET A 21 6.846 0.346 -11.624 1.00 0.00 C ATOM 119 CG MET A 21 6.296 1.191 -12.775 1.00 0.00 C ATOM 120 SD MET A 21 4.612 1.671 -12.429 1.00 0.00 S ATOM 121 CE MET A 21 3.810 1.083 -13.911 1.00 0.00 C ATOM 0 H MET A 21 7.171 -1.957 -10.850 1.00 0.00 H new ATOM 0 HA MET A 21 7.969 -0.682 -13.157 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.061 -0.304 -11.238 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.153 0.996 -10.805 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.914 2.078 -12.914 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.338 0.624 -13.705 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.744 1.304 -13.860 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.242 1.579 -14.780 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.954 0.006 -14.000 1.00 0.00 H new ATOM 131 N GLN A 22 9.860 0.034 -10.603 1.00 0.00 N ATOM 132 CA GLN A 22 11.095 0.682 -10.197 1.00 0.00 C ATOM 133 C GLN A 22 12.141 0.574 -11.308 1.00 0.00 C ATOM 134 O GLN A 22 12.448 1.561 -11.975 1.00 0.00 O ATOM 135 CB GLN A 22 11.622 0.087 -8.889 1.00 0.00 C ATOM 136 CG GLN A 22 12.484 1.101 -8.134 1.00 0.00 C ATOM 137 CD GLN A 22 13.917 1.108 -8.670 1.00 0.00 C ATOM 138 OE1 GLN A 22 14.212 1.651 -9.721 1.00 0.00 O ATOM 139 NE2 GLN A 22 14.789 0.475 -7.889 1.00 0.00 N ATOM 0 H GLN A 22 9.451 -0.582 -9.900 1.00 0.00 H new ATOM 0 HA GLN A 22 10.888 1.737 -10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.785 -0.222 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.208 -0.807 -9.102 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.051 2.096 -8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.490 0.859 -7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.475 0.041 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.771 0.424 -8.159 1.00 0.00 H new ATOM 148 N THR A 23 12.660 -0.634 -11.474 1.00 0.00 N ATOM 149 CA THR A 23 13.664 -0.884 -12.494 1.00 0.00 C ATOM 150 C THR A 23 13.018 -0.926 -13.880 1.00 0.00 C ATOM 151 O THR A 23 13.441 -0.213 -14.788 1.00 0.00 O ATOM 152 CB THR A 23 14.400 -2.174 -12.126 1.00 0.00 C ATOM 153 OG1 THR A 23 15.513 -1.731 -11.354 1.00 0.00 O ATOM 154 CG2 THR A 23 15.036 -2.852 -13.342 1.00 0.00 C ATOM 0 H THR A 23 12.404 -1.450 -10.919 1.00 0.00 H new ATOM 0 HA THR A 23 14.395 -0.077 -12.536 1.00 0.00 H new ATOM 0 HB THR A 23 13.705 -2.864 -11.647 1.00 0.00 H new ATOM 0 HG1 THR A 23 16.044 -2.505 -11.072 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.545 -3.762 -13.026 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.261 -3.103 -14.066 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.756 -2.174 -13.801 1.00 0.00 H new ATOM 162 N LEU A 24 12.004 -1.770 -13.999 1.00 0.00 N ATOM 163 CA LEU A 24 11.295 -1.916 -15.259 1.00 0.00 C ATOM 164 C LEU A 24 11.173 -0.547 -15.931 1.00 0.00 C ATOM 165 O LEU A 24 11.732 -0.326 -17.004 1.00 0.00 O ATOM 166 CB LEU A 24 9.952 -2.616 -15.041 1.00 0.00 C ATOM 167 CG LEU A 24 9.029 -2.690 -16.259 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.922 -3.724 -16.045 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.466 -1.310 -16.604 1.00 0.00 C ATOM 0 H LEU A 24 11.656 -2.360 -13.243 1.00 0.00 H new ATOM 0 HA LEU A 24 11.855 -2.558 -15.939 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.146 -3.631 -14.695 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.422 -2.101 -14.239 1.00 0.00 H new ATOM 0 HG LEU A 24 9.617 -3.021 -17.115 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.280 -3.757 -16.925 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.367 -4.706 -15.884 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.329 -3.447 -15.173 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.813 -1.390 -17.473 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.897 -0.927 -15.757 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.286 -0.628 -16.828 1.00 0.00 H new ATOM 181 N MET A 25 10.439 0.337 -15.272 1.00 0.00 N ATOM 182 CA MET A 25 10.236 1.679 -15.792 1.00 0.00 C ATOM 183 C MET A 25 11.502 2.523 -15.639 1.00 0.00 C ATOM 184 O MET A 25 11.761 3.413 -16.448 1.00 0.00 O ATOM 185 CB MET A 25 9.082 2.348 -15.043 1.00 0.00 C ATOM 186 CG MET A 25 9.575 3.556 -14.243 1.00 0.00 C ATOM 187 SD MET A 25 8.224 4.272 -13.322 1.00 0.00 S ATOM 188 CE MET A 25 7.017 4.444 -14.626 1.00 0.00 C ATOM 0 H MET A 25 9.977 0.150 -14.382 1.00 0.00 H new ATOM 0 HA MET A 25 9.997 1.605 -16.853 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.318 2.665 -15.753 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.614 1.629 -14.371 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.369 3.251 -13.561 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.001 4.299 -14.917 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.372 5.297 -14.415 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.528 4.602 -15.576 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.413 3.538 -14.685 1.00 0.00 H new ATOM 198 N GLY A 26 12.259 2.214 -14.597 1.00 0.00 N ATOM 199 CA GLY A 26 13.493 2.934 -14.328 1.00 0.00 C ATOM 200 C GLY A 26 14.526 2.680 -15.427 1.00 0.00 C ATOM 201 O GLY A 26 15.573 3.326 -15.461 1.00 0.00 O ATOM 0 H GLY A 26 12.042 1.475 -13.928 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.287 4.002 -14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.897 2.623 -13.365 1.00 0.00 H new ATOM 205 N SER A 27 14.197 1.737 -16.298 1.00 0.00 N ATOM 206 CA SER A 27 15.084 1.390 -17.395 1.00 0.00 C ATOM 207 C SER A 27 15.252 2.588 -18.332 1.00 0.00 C ATOM 208 O SER A 27 16.110 2.576 -19.213 1.00 0.00 O ATOM 209 CB SER A 27 14.555 0.181 -18.169 1.00 0.00 C ATOM 210 OG SER A 27 13.426 0.513 -18.972 1.00 0.00 O ATOM 0 H SER A 27 13.329 1.203 -16.266 1.00 0.00 H new ATOM 0 HA SER A 27 16.055 1.124 -16.978 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.346 -0.218 -18.804 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.282 -0.607 -17.467 1.00 0.00 H new ATOM 0 HG SER A 27 12.604 0.286 -18.490 1.00 0.00 H new ATOM 216 N GLY A 28 14.418 3.594 -18.110 1.00 0.00 N ATOM 217 CA GLY A 28 14.463 4.797 -18.923 1.00 0.00 C ATOM 218 C GLY A 28 13.405 4.753 -20.027 1.00 0.00 C ATOM 219 O GLY A 28 13.355 5.638 -20.879 1.00 0.00 O ATOM 0 H GLY A 28 13.707 3.600 -17.378 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.300 5.672 -18.293 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.453 4.903 -19.367 1.00 0.00 H new ATOM 223 N VAL A 29 12.586 3.713 -19.976 1.00 0.00 N ATOM 224 CA VAL A 29 11.532 3.541 -20.961 1.00 0.00 C ATOM 225 C VAL A 29 10.420 4.557 -20.693 1.00 0.00 C ATOM 226 O VAL A 29 9.940 5.215 -21.616 1.00 0.00 O ATOM 227 CB VAL A 29 11.035 2.094 -20.949 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.756 1.947 -21.776 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.121 1.137 -21.444 1.00 0.00 C ATOM 0 H VAL A 29 12.631 2.981 -19.268 1.00 0.00 H new ATOM 0 HA VAL A 29 11.912 3.731 -21.965 1.00 0.00 H new ATOM 0 HB VAL A 29 10.800 1.829 -19.918 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.424 0.909 -21.751 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.978 2.587 -21.360 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.954 2.240 -22.807 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.742 0.115 -21.425 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.402 1.401 -22.464 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.994 1.212 -20.796 1.00 0.00 H new ATOM 239 N LEU A 30 10.042 4.653 -19.427 1.00 0.00 N ATOM 240 CA LEU A 30 8.995 5.578 -19.027 1.00 0.00 C ATOM 241 C LEU A 30 9.631 6.832 -18.423 1.00 0.00 C ATOM 242 O LEU A 30 10.853 6.919 -18.310 1.00 0.00 O ATOM 243 CB LEU A 30 7.996 4.887 -18.097 1.00 0.00 C ATOM 244 CG LEU A 30 7.178 3.751 -18.715 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.364 3.017 -17.648 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.297 4.268 -19.854 1.00 0.00 C ATOM 0 H LEU A 30 10.442 4.106 -18.665 1.00 0.00 H new ATOM 0 HA LEU A 30 8.419 5.899 -19.895 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.542 4.491 -17.241 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.306 5.639 -17.715 1.00 0.00 H new ATOM 0 HG LEU A 30 7.870 3.027 -19.146 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.792 2.215 -18.114 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.038 2.596 -16.902 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.681 3.717 -17.166 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.726 3.441 -20.276 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.612 5.023 -19.470 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.925 4.708 -20.629 1.00 0.00 H new ATOM 258 N ALA A 31 8.774 7.772 -18.052 1.00 0.00 N ATOM 259 CA ALA A 31 9.238 9.016 -17.463 1.00 0.00 C ATOM 260 C ALA A 31 8.549 9.224 -16.112 1.00 0.00 C ATOM 261 O ALA A 31 7.330 9.102 -16.008 1.00 0.00 O ATOM 262 CB ALA A 31 8.976 10.169 -18.434 1.00 0.00 C ATOM 0 H ALA A 31 7.761 7.697 -18.148 1.00 0.00 H new ATOM 0 HA ALA A 31 10.312 8.978 -17.283 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.324 11.103 -17.992 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.510 9.988 -19.367 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.907 10.239 -18.636 1.00 0.00 H new ATOM 268 N ARG A 32 9.361 9.533 -15.112 1.00 0.00 N ATOM 269 CA ARG A 32 8.846 9.758 -13.772 1.00 0.00 C ATOM 270 C ARG A 32 9.297 11.124 -13.252 1.00 0.00 C ATOM 271 O ARG A 32 10.429 11.541 -13.493 1.00 0.00 O ATOM 272 CB ARG A 32 9.323 8.670 -12.808 1.00 0.00 C ATOM 273 CG ARG A 32 9.547 9.240 -11.406 1.00 0.00 C ATOM 274 CD ARG A 32 9.703 8.118 -10.377 1.00 0.00 C ATOM 275 NE ARG A 32 10.780 7.194 -10.795 1.00 0.00 N ATOM 276 CZ ARG A 32 10.991 5.990 -10.247 1.00 0.00 C ATOM 277 NH1 ARG A 32 10.200 5.556 -9.256 1.00 0.00 N ATOM 278 NH2 ARG A 32 11.994 5.218 -10.690 1.00 0.00 N ATOM 0 H ARG A 32 10.372 9.633 -15.203 1.00 0.00 H new ATOM 0 HA ARG A 32 7.758 9.727 -13.826 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.586 7.868 -12.765 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.250 8.231 -13.179 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.438 9.868 -11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.707 9.877 -11.130 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.934 8.540 -9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.764 7.573 -10.276 1.00 0.00 H new ATOM 0 HE ARG A 32 11.401 7.492 -11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.437 6.143 -8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.361 4.639 -8.839 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.596 5.548 -11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.155 4.301 -10.273 1.00 0.00 H new ATOM 292 N CYS A 33 8.388 11.784 -12.549 1.00 0.00 N ATOM 293 CA CYS A 33 8.679 13.095 -11.993 1.00 0.00 C ATOM 294 C CYS A 33 9.264 12.904 -10.593 1.00 0.00 C ATOM 295 O CYS A 33 8.769 12.089 -9.815 1.00 0.00 O ATOM 296 CB CYS A 33 7.438 13.990 -11.976 1.00 0.00 C ATOM 297 SG CYS A 33 7.896 15.685 -11.460 1.00 0.00 S ATOM 0 H CYS A 33 7.450 11.436 -12.352 1.00 0.00 H new ATOM 0 HA CYS A 33 9.407 13.607 -12.623 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.982 14.013 -12.966 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.694 13.581 -11.292 1.00 0.00 H new ATOM 0 HG CYS A 33 6.836 16.437 -11.451 1.00 0.00 H new ATOM 302 N ARG A 34 10.310 13.668 -10.313 1.00 0.00 N ATOM 303 CA ARG A 34 10.967 13.593 -9.020 1.00 0.00 C ATOM 304 C ARG A 34 9.967 13.878 -7.898 1.00 0.00 C ATOM 305 O ARG A 34 10.165 13.452 -6.761 1.00 0.00 O ATOM 306 CB ARG A 34 12.122 14.593 -8.930 1.00 0.00 C ATOM 307 CG ARG A 34 12.643 14.701 -7.496 1.00 0.00 C ATOM 308 CD ARG A 34 11.956 15.845 -6.747 1.00 0.00 C ATOM 309 NE ARG A 34 12.734 17.094 -6.906 1.00 0.00 N ATOM 310 CZ ARG A 34 13.870 17.360 -6.247 1.00 0.00 C ATOM 311 NH1 ARG A 34 14.367 16.467 -5.381 1.00 0.00 N ATOM 312 NH2 ARG A 34 14.509 18.520 -6.455 1.00 0.00 N ATOM 0 H ARG A 34 10.718 14.342 -10.960 1.00 0.00 H new ATOM 0 HA ARG A 34 11.365 12.584 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.930 14.281 -9.592 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.788 15.572 -9.274 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.469 13.762 -6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.721 14.865 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.945 15.986 -7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.865 15.596 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 34 12.384 17.796 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.881 15.584 -5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.232 16.670 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.130 19.200 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.374 18.723 -5.954 1.00 0.00 H new ATOM 326 N ILE A 35 8.913 14.597 -8.257 1.00 0.00 N ATOM 327 CA ILE A 35 7.881 14.943 -7.295 1.00 0.00 C ATOM 328 C ILE A 35 6.782 13.879 -7.326 1.00 0.00 C ATOM 329 O ILE A 35 6.005 13.756 -6.381 1.00 0.00 O ATOM 330 CB ILE A 35 7.369 16.363 -7.546 1.00 0.00 C ATOM 331 CG1 ILE A 35 8.494 17.388 -7.388 1.00 0.00 C ATOM 332 CG2 ILE A 35 6.172 16.681 -6.647 1.00 0.00 C ATOM 333 CD1 ILE A 35 9.168 17.673 -8.731 1.00 0.00 C ATOM 0 H ILE A 35 8.752 14.949 -9.201 1.00 0.00 H new ATOM 0 HA ILE A 35 8.290 14.950 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 35 7.022 16.424 -8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.092 18.313 -6.975 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.233 17.016 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.828 17.696 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.365 15.977 -6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.469 16.597 -5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.964 18.405 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.590 16.750 -9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.432 18.068 -9.431 1.00 0.00 H new ATOM 345 N HIS A 36 6.753 13.136 -8.423 1.00 0.00 N ATOM 346 CA HIS A 36 5.763 12.086 -8.590 1.00 0.00 C ATOM 347 C HIS A 36 6.467 10.742 -8.782 1.00 0.00 C ATOM 348 O HIS A 36 7.000 10.464 -9.856 1.00 0.00 O ATOM 349 CB HIS A 36 4.803 12.421 -9.733 1.00 0.00 C ATOM 350 CG HIS A 36 4.519 13.897 -9.884 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.223 14.717 -8.810 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.491 14.690 -10.994 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.026 15.946 -9.264 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.192 15.927 -10.617 1.00 0.00 N ATOM 0 H HIS A 36 7.400 13.241 -9.205 1.00 0.00 H new ATOM 0 HA HIS A 36 5.152 12.011 -7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.221 12.044 -10.667 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.862 11.895 -9.570 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.680 14.366 -12.007 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.778 16.811 -8.667 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.101 16.731 -11.238 1.00 0.00 H new ATOM 362 N ASN A 37 6.447 9.943 -7.726 1.00 0.00 N ATOM 363 CA ASN A 37 7.078 8.634 -7.765 1.00 0.00 C ATOM 364 C ASN A 37 6.018 7.571 -8.059 1.00 0.00 C ATOM 365 O ASN A 37 6.324 6.524 -8.627 1.00 0.00 O ATOM 366 CB ASN A 37 7.727 8.295 -6.422 1.00 0.00 C ATOM 367 CG ASN A 37 9.127 8.904 -6.321 1.00 0.00 C ATOM 368 OD1 ASN A 37 10.057 8.305 -5.807 1.00 0.00 O ATOM 369 ND2 ASN A 37 9.224 10.126 -6.837 1.00 0.00 N ATOM 0 H ASN A 37 6.004 10.176 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 37 7.843 8.651 -8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.105 8.668 -5.609 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.788 7.213 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.117 10.619 -6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.405 10.570 -7.253 1.00 0.00 H new ATOM 376 N ASP A 38 4.792 7.877 -7.660 1.00 0.00 N ATOM 377 CA ASP A 38 3.685 6.960 -7.874 1.00 0.00 C ATOM 378 C ASP A 38 3.038 7.256 -9.228 1.00 0.00 C ATOM 379 O ASP A 38 2.016 6.665 -9.575 1.00 0.00 O ATOM 380 CB ASP A 38 2.615 7.127 -6.793 1.00 0.00 C ATOM 381 CG ASP A 38 2.948 6.478 -5.448 1.00 0.00 C ATOM 382 OD1 ASP A 38 3.705 7.036 -4.639 1.00 0.00 O ATOM 383 OD2 ASP A 38 2.387 5.335 -5.240 1.00 0.00 O ATOM 0 H ASP A 38 4.541 8.747 -7.190 1.00 0.00 H new ATOM 0 HA ASP A 38 4.078 5.944 -7.840 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.444 8.192 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.679 6.706 -7.161 1.00 0.00 H new ATOM 389 N VAL A 39 3.659 8.171 -9.958 1.00 0.00 N ATOM 390 CA VAL A 39 3.157 8.552 -11.267 1.00 0.00 C ATOM 391 C VAL A 39 4.047 7.937 -12.349 1.00 0.00 C ATOM 392 O VAL A 39 5.261 7.840 -12.178 1.00 0.00 O ATOM 393 CB VAL A 39 3.060 10.075 -11.367 1.00 0.00 C ATOM 394 CG1 VAL A 39 2.863 10.518 -12.819 1.00 0.00 C ATOM 395 CG2 VAL A 39 1.942 10.614 -10.473 1.00 0.00 C ATOM 0 H VAL A 39 4.506 8.660 -9.667 1.00 0.00 H new ATOM 0 HA VAL A 39 2.149 8.165 -11.417 1.00 0.00 H new ATOM 0 HB VAL A 39 4.002 10.494 -11.014 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.797 11.605 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.708 10.182 -13.420 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.943 10.083 -13.211 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.895 11.699 -10.563 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.990 10.183 -10.781 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.143 10.345 -9.436 1.00 0.00 H new ATOM 405 N ILE A 40 3.408 7.536 -13.439 1.00 0.00 N ATOM 406 CA ILE A 40 4.127 6.933 -14.548 1.00 0.00 C ATOM 407 C ILE A 40 3.807 7.699 -15.834 1.00 0.00 C ATOM 408 O ILE A 40 2.642 7.838 -16.204 1.00 0.00 O ATOM 409 CB ILE A 40 3.824 5.436 -14.632 1.00 0.00 C ATOM 410 CG1 ILE A 40 4.291 4.857 -15.969 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.341 5.161 -14.374 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.204 4.997 -17.037 1.00 0.00 C ATOM 0 H ILE A 40 2.401 7.617 -13.577 1.00 0.00 H new ATOM 0 HA ILE A 40 5.203 7.008 -14.391 1.00 0.00 H new ATOM 0 HB ILE A 40 4.386 4.929 -13.848 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.195 5.371 -16.296 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.549 3.806 -15.844 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.153 4.089 -14.440 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.073 5.516 -13.379 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.739 5.681 -15.119 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.562 4.578 -17.977 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.310 4.462 -16.718 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.965 6.051 -17.177 1.00 0.00 H new ATOM 424 N LEU A 41 4.861 8.175 -16.479 1.00 0.00 N ATOM 425 CA LEU A 41 4.707 8.923 -17.716 1.00 0.00 C ATOM 426 C LEU A 41 5.292 8.111 -18.874 1.00 0.00 C ATOM 427 O LEU A 41 6.123 7.229 -18.661 1.00 0.00 O ATOM 428 CB LEU A 41 5.313 10.320 -17.576 1.00 0.00 C ATOM 429 CG LEU A 41 5.102 11.011 -16.227 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.132 12.122 -16.013 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.668 11.526 -16.094 1.00 0.00 C ATOM 0 H LEU A 41 5.826 8.058 -16.169 1.00 0.00 H new ATOM 0 HA LEU A 41 3.651 9.080 -17.938 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.385 10.250 -17.762 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.895 10.956 -18.357 1.00 0.00 H new ATOM 0 HG LEU A 41 5.254 10.274 -15.438 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.960 12.597 -15.047 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.135 11.697 -16.035 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.036 12.865 -16.805 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.544 12.013 -15.127 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.464 12.243 -16.889 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.973 10.690 -16.171 1.00 0.00 H new ATOM 443 N ASP A 42 4.835 8.439 -20.073 1.00 0.00 N ATOM 444 CA ASP A 42 5.303 7.752 -21.265 1.00 0.00 C ATOM 445 C ASP A 42 6.453 8.545 -21.888 1.00 0.00 C ATOM 446 O ASP A 42 6.386 9.769 -21.986 1.00 0.00 O ATOM 447 CB ASP A 42 4.189 7.637 -22.308 1.00 0.00 C ATOM 448 CG ASP A 42 4.503 6.719 -23.491 1.00 0.00 C ATOM 449 OD1 ASP A 42 5.440 5.908 -23.439 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.729 6.863 -24.513 1.00 0.00 O ATOM 0 H ASP A 42 4.146 9.171 -20.245 1.00 0.00 H new ATOM 0 HA ASP A 42 5.628 6.754 -20.972 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.287 7.274 -21.815 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.965 8.633 -22.690 1.00 0.00 H new ATOM 456 N SER A 43 7.483 7.816 -22.292 1.00 0.00 N ATOM 457 CA SER A 43 8.646 8.436 -22.903 1.00 0.00 C ATOM 458 C SER A 43 8.514 8.409 -24.427 1.00 0.00 C ATOM 459 O SER A 43 8.807 9.399 -25.096 1.00 0.00 O ATOM 460 CB SER A 43 9.935 7.735 -22.469 1.00 0.00 C ATOM 461 OG SER A 43 11.072 8.586 -22.590 1.00 0.00 O ATOM 0 H SER A 43 7.536 6.801 -22.208 1.00 0.00 H new ATOM 0 HA SER A 43 8.697 9.472 -22.568 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.838 7.405 -21.435 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.084 6.842 -23.076 1.00 0.00 H new ATOM 0 HG SER A 43 11.874 8.103 -22.302 1.00 0.00 H new ATOM 467 N GLY A 44 8.073 7.266 -24.931 1.00 0.00 N ATOM 468 CA GLY A 44 7.899 7.098 -26.363 1.00 0.00 C ATOM 469 C GLY A 44 9.050 6.289 -26.965 1.00 0.00 C ATOM 470 O GLY A 44 9.437 6.510 -28.111 1.00 0.00 O ATOM 0 H GLY A 44 7.831 6.447 -24.373 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.953 6.594 -26.561 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.846 8.075 -26.843 1.00 0.00 H new ATOM 474 N ASN A 45 9.565 5.367 -26.164 1.00 0.00 N ATOM 475 CA ASN A 45 10.664 4.524 -26.602 1.00 0.00 C ATOM 476 C ASN A 45 10.173 3.080 -26.729 1.00 0.00 C ATOM 477 O ASN A 45 9.023 2.781 -26.412 1.00 0.00 O ATOM 478 CB ASN A 45 11.812 4.546 -25.592 1.00 0.00 C ATOM 479 CG ASN A 45 13.146 4.225 -26.271 1.00 0.00 C ATOM 480 OD1 ASN A 45 13.860 3.311 -25.893 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.440 5.026 -27.291 1.00 0.00 N ATOM 0 H ASN A 45 9.241 5.186 -25.214 1.00 0.00 H new ATOM 0 HA ASN A 45 11.020 4.904 -27.560 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.867 5.527 -25.120 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.619 3.822 -24.801 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.308 4.894 -27.809 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.797 5.773 -27.555 1.00 0.00 H new ATOM 488 N ASP A 46 11.071 2.223 -27.193 1.00 0.00 N ATOM 489 CA ASP A 46 10.744 0.818 -27.366 1.00 0.00 C ATOM 490 C ASP A 46 10.246 0.247 -26.036 1.00 0.00 C ATOM 491 O ASP A 46 11.036 0.004 -25.126 1.00 0.00 O ATOM 492 CB ASP A 46 11.974 0.015 -27.793 1.00 0.00 C ATOM 493 CG ASP A 46 13.138 0.036 -26.800 1.00 0.00 C ATOM 494 OD1 ASP A 46 14.010 -0.846 -26.818 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.127 1.023 -25.969 1.00 0.00 O ATOM 0 H ASP A 46 12.024 2.475 -27.454 1.00 0.00 H new ATOM 0 HA ASP A 46 9.978 0.743 -28.138 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.674 -1.020 -27.956 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.326 0.400 -28.750 1.00 0.00 H new ATOM 501 N ALA A 47 8.937 0.050 -25.967 1.00 0.00 N ATOM 502 CA ALA A 47 8.324 -0.487 -24.764 1.00 0.00 C ATOM 503 C ALA A 47 8.726 -1.954 -24.603 1.00 0.00 C ATOM 504 O ALA A 47 8.693 -2.493 -23.498 1.00 0.00 O ATOM 505 CB ALA A 47 6.807 -0.302 -24.838 1.00 0.00 C ATOM 0 H ALA A 47 8.285 0.253 -26.724 1.00 0.00 H new ATOM 0 HA ALA A 47 8.675 0.049 -23.882 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.347 -0.705 -23.936 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.574 0.759 -24.922 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.418 -0.829 -25.710 1.00 0.00 H new ATOM 511 N SER A 48 9.097 -2.559 -25.722 1.00 0.00 N ATOM 512 CA SER A 48 9.505 -3.953 -25.719 1.00 0.00 C ATOM 513 C SER A 48 10.609 -4.174 -24.683 1.00 0.00 C ATOM 514 O SER A 48 10.604 -5.176 -23.969 1.00 0.00 O ATOM 515 CB SER A 48 9.984 -4.390 -27.105 1.00 0.00 C ATOM 516 OG SER A 48 10.260 -5.787 -27.159 1.00 0.00 O ATOM 0 H SER A 48 9.123 -2.109 -26.637 1.00 0.00 H new ATOM 0 HA SER A 48 8.640 -4.561 -25.454 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.224 -4.142 -27.846 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.882 -3.833 -27.370 1.00 0.00 H new ATOM 0 HG SER A 48 10.561 -6.026 -28.060 1.00 0.00 H new ATOM 522 N SER A 49 11.528 -3.221 -24.632 1.00 0.00 N ATOM 523 CA SER A 49 12.635 -3.298 -23.694 1.00 0.00 C ATOM 524 C SER A 49 12.106 -3.296 -22.258 1.00 0.00 C ATOM 525 O SER A 49 12.464 -4.160 -21.460 1.00 0.00 O ATOM 526 CB SER A 49 13.613 -2.140 -23.901 1.00 0.00 C ATOM 527 OG SER A 49 14.794 -2.293 -23.118 1.00 0.00 O ATOM 0 H SER A 49 11.529 -2.391 -25.225 1.00 0.00 H new ATOM 0 HA SER A 49 13.172 -4.229 -23.875 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.882 -2.077 -24.955 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.124 -1.201 -23.640 1.00 0.00 H new ATOM 0 HG SER A 49 15.394 -1.535 -23.279 1.00 0.00 H new ATOM 533 N ALA A 50 11.262 -2.315 -21.974 1.00 0.00 N ATOM 534 CA ALA A 50 10.680 -2.189 -20.649 1.00 0.00 C ATOM 535 C ALA A 50 10.055 -3.525 -20.242 1.00 0.00 C ATOM 536 O ALA A 50 10.191 -3.955 -19.097 1.00 0.00 O ATOM 537 CB ALA A 50 9.664 -1.045 -20.643 1.00 0.00 C ATOM 0 H ALA A 50 10.967 -1.600 -22.639 1.00 0.00 H new ATOM 0 HA ALA A 50 11.448 -1.946 -19.915 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.228 -0.951 -19.649 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.163 -0.114 -20.910 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.876 -1.254 -21.367 1.00 0.00 H new ATOM 543 N TYR A 51 9.383 -4.145 -21.201 1.00 0.00 N ATOM 544 CA TYR A 51 8.737 -5.423 -20.957 1.00 0.00 C ATOM 545 C TYR A 51 9.764 -6.494 -20.582 1.00 0.00 C ATOM 546 O TYR A 51 9.569 -7.237 -19.621 1.00 0.00 O ATOM 547 CB TYR A 51 8.067 -5.816 -22.275 1.00 0.00 C ATOM 548 CG TYR A 51 7.154 -4.734 -22.855 1.00 0.00 C ATOM 549 CD1 TYR A 51 6.798 -3.645 -22.085 1.00 0.00 C ATOM 550 CD2 TYR A 51 6.685 -4.847 -24.148 1.00 0.00 C ATOM 551 CE1 TYR A 51 5.939 -2.627 -22.630 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.825 -3.829 -24.694 1.00 0.00 C ATOM 553 CZ TYR A 51 5.494 -2.769 -23.908 1.00 0.00 C ATOM 554 OH TYR A 51 4.682 -1.808 -24.423 1.00 0.00 O ATOM 0 H TYR A 51 9.272 -3.785 -22.149 1.00 0.00 H new ATOM 0 HA TYR A 51 8.026 -5.342 -20.134 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.839 -6.056 -23.006 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.484 -6.723 -22.118 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.164 -3.557 -21.073 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.963 -5.699 -24.751 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.654 -1.770 -22.038 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.451 -3.905 -25.704 1.00 0.00 H new ATOM 0 HH TYR A 51 4.444 -2.041 -25.345 1.00 0.00 H new ATOM 564 N LYS A 52 10.836 -6.538 -21.360 1.00 0.00 N ATOM 565 CA LYS A 52 11.894 -7.505 -21.122 1.00 0.00 C ATOM 566 C LYS A 52 12.462 -7.298 -19.716 1.00 0.00 C ATOM 567 O LYS A 52 12.640 -8.257 -18.967 1.00 0.00 O ATOM 568 CB LYS A 52 12.948 -7.430 -22.228 1.00 0.00 C ATOM 569 CG LYS A 52 14.215 -8.191 -21.831 1.00 0.00 C ATOM 570 CD LYS A 52 13.919 -9.677 -21.622 1.00 0.00 C ATOM 571 CE LYS A 52 15.211 -10.496 -21.606 1.00 0.00 C ATOM 572 NZ LYS A 52 16.081 -10.069 -20.488 1.00 0.00 N ATOM 0 H LYS A 52 10.994 -5.920 -22.156 1.00 0.00 H new ATOM 0 HA LYS A 52 11.498 -8.520 -21.160 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.543 -7.847 -23.150 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.194 -6.388 -22.431 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.972 -8.073 -22.606 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.627 -7.766 -20.916 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.384 -9.816 -20.683 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.266 -10.037 -22.417 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.976 -11.556 -21.507 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.738 -10.373 -22.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.860 -10.749 -20.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.471 -9.127 -20.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.525 -10.031 -19.610 1.00 0.00 H new ATOM 586 N LEU A 53 12.731 -6.039 -19.401 1.00 0.00 N ATOM 587 CA LEU A 53 13.275 -5.694 -18.099 1.00 0.00 C ATOM 588 C LEU A 53 12.232 -5.992 -17.020 1.00 0.00 C ATOM 589 O LEU A 53 12.579 -6.385 -15.907 1.00 0.00 O ATOM 590 CB LEU A 53 13.770 -4.246 -18.092 1.00 0.00 C ATOM 591 CG LEU A 53 14.614 -3.820 -19.295 1.00 0.00 C ATOM 592 CD1 LEU A 53 14.256 -2.401 -19.741 1.00 0.00 C ATOM 593 CD2 LEU A 53 16.107 -3.968 -18.996 1.00 0.00 C ATOM 0 H LEU A 53 12.582 -5.246 -20.025 1.00 0.00 H new ATOM 0 HA LEU A 53 14.149 -6.307 -17.877 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.904 -3.587 -18.029 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.357 -4.088 -17.187 1.00 0.00 H new ATOM 0 HG LEU A 53 14.385 -4.486 -20.127 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.870 -2.123 -20.597 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.203 -2.362 -20.022 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.439 -1.705 -18.922 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.685 -3.659 -19.867 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.371 -3.342 -18.144 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.330 -5.009 -18.764 1.00 0.00 H new ATOM 605 N GLY A 54 10.974 -5.793 -17.387 1.00 0.00 N ATOM 606 CA GLY A 54 9.878 -6.036 -16.464 1.00 0.00 C ATOM 607 C GLY A 54 9.805 -7.514 -16.077 1.00 0.00 C ATOM 608 O GLY A 54 9.767 -7.849 -14.893 1.00 0.00 O ATOM 0 H GLY A 54 10.690 -5.466 -18.310 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.010 -5.428 -15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.938 -5.729 -16.922 1.00 0.00 H new ATOM 612 N THR A 55 9.786 -8.360 -17.096 1.00 0.00 N ATOM 613 CA THR A 55 9.717 -9.795 -16.878 1.00 0.00 C ATOM 614 C THR A 55 11.002 -10.295 -16.215 1.00 0.00 C ATOM 615 O THR A 55 10.968 -11.223 -15.408 1.00 0.00 O ATOM 616 CB THR A 55 9.427 -10.465 -18.222 1.00 0.00 C ATOM 617 OG1 THR A 55 8.191 -9.888 -18.638 1.00 0.00 O ATOM 618 CG2 THR A 55 9.112 -11.955 -18.078 1.00 0.00 C ATOM 0 H THR A 55 9.817 -8.079 -18.076 1.00 0.00 H new ATOM 0 HA THR A 55 8.911 -10.052 -16.190 1.00 0.00 H new ATOM 0 HB THR A 55 10.284 -10.337 -18.883 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.363 -9.030 -19.079 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.914 -12.382 -19.061 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.963 -12.465 -17.626 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.234 -12.082 -17.444 1.00 0.00 H new ATOM 626 N TYR A 56 12.105 -9.659 -16.580 1.00 0.00 N ATOM 627 CA TYR A 56 13.399 -10.028 -16.030 1.00 0.00 C ATOM 628 C TYR A 56 13.411 -9.877 -14.508 1.00 0.00 C ATOM 629 O TYR A 56 13.774 -10.809 -13.791 1.00 0.00 O ATOM 630 CB TYR A 56 14.408 -9.050 -16.635 1.00 0.00 C ATOM 631 CG TYR A 56 15.637 -8.802 -15.758 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.730 -9.640 -15.849 1.00 0.00 C ATOM 633 CD2 TYR A 56 15.652 -7.741 -14.876 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.887 -9.407 -15.024 1.00 0.00 C ATOM 635 CE2 TYR A 56 16.809 -7.508 -14.050 1.00 0.00 C ATOM 636 CZ TYR A 56 17.869 -8.352 -14.165 1.00 0.00 C ATOM 637 OH TYR A 56 18.961 -8.132 -13.385 1.00 0.00 O ATOM 0 H TYR A 56 12.130 -8.890 -17.250 1.00 0.00 H new ATOM 0 HA TYR A 56 13.632 -11.067 -16.262 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.735 -9.433 -17.601 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.910 -8.099 -16.822 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.717 -10.471 -16.539 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.797 -7.085 -14.805 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.749 -10.055 -15.086 1.00 0.00 H new ATOM 0 HE2 TYR A 56 16.834 -6.682 -13.355 1.00 0.00 H new ATOM 0 HH TYR A 56 18.808 -7.345 -12.822 1.00 0.00 H new ATOM 647 N LEU A 57 13.009 -8.697 -14.058 1.00 0.00 N ATOM 648 CA LEU A 57 12.969 -8.413 -12.634 1.00 0.00 C ATOM 649 C LEU A 57 11.830 -9.208 -11.992 1.00 0.00 C ATOM 650 O LEU A 57 12.028 -9.873 -10.976 1.00 0.00 O ATOM 651 CB LEU A 57 12.880 -6.905 -12.391 1.00 0.00 C ATOM 652 CG LEU A 57 12.827 -6.464 -10.927 1.00 0.00 C ATOM 653 CD1 LEU A 57 13.498 -5.102 -10.740 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.389 -6.471 -10.404 1.00 0.00 C ATOM 0 H LEU A 57 12.708 -7.927 -14.655 1.00 0.00 H new ATOM 0 HA LEU A 57 13.893 -8.736 -12.155 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.740 -6.430 -12.862 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.991 -6.527 -12.896 1.00 0.00 H new ATOM 0 HG LEU A 57 13.389 -7.184 -10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.446 -4.812 -9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 57 14.542 -5.165 -11.048 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.985 -4.357 -11.348 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.380 -6.154 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.783 -5.786 -10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.979 -7.478 -10.480 1.00 0.00 H new ATOM 666 N TYR A 58 10.662 -9.112 -12.610 1.00 0.00 N ATOM 667 CA TYR A 58 9.492 -9.814 -12.111 1.00 0.00 C ATOM 668 C TYR A 58 9.826 -11.269 -11.777 1.00 0.00 C ATOM 669 O TYR A 58 9.377 -11.795 -10.760 1.00 0.00 O ATOM 670 CB TYR A 58 8.468 -9.786 -13.248 1.00 0.00 C ATOM 671 CG TYR A 58 7.523 -8.584 -13.205 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.975 -8.179 -12.004 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.218 -7.904 -14.366 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.086 -7.047 -11.964 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.328 -6.772 -14.326 1.00 0.00 C ATOM 676 CZ TYR A 58 5.806 -6.400 -13.127 1.00 0.00 C ATOM 677 OH TYR A 58 4.966 -5.331 -13.088 1.00 0.00 O ATOM 0 H TYR A 58 10.501 -8.559 -13.452 1.00 0.00 H new ATOM 0 HA TYR A 58 9.120 -9.343 -11.201 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.998 -9.785 -14.200 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.877 -10.701 -13.213 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.213 -8.711 -11.095 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.647 -8.221 -15.305 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.651 -6.719 -11.031 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.081 -6.231 -15.228 1.00 0.00 H new ATOM 0 HH TYR A 58 4.858 -4.967 -13.991 1.00 0.00 H new ATOM 687 N GLN A 59 10.612 -11.879 -12.653 1.00 0.00 N ATOM 688 CA GLN A 59 11.011 -13.263 -12.463 1.00 0.00 C ATOM 689 C GLN A 59 9.846 -14.079 -11.900 1.00 0.00 C ATOM 690 O GLN A 59 10.056 -15.045 -11.168 1.00 0.00 O ATOM 691 CB GLN A 59 12.238 -13.360 -11.554 1.00 0.00 C ATOM 692 CG GLN A 59 12.985 -14.676 -11.780 1.00 0.00 C ATOM 693 CD GLN A 59 14.201 -14.782 -10.858 1.00 0.00 C ATOM 694 OE1 GLN A 59 14.112 -15.201 -9.716 1.00 0.00 O ATOM 695 NE2 GLN A 59 15.339 -14.378 -11.415 1.00 0.00 N ATOM 0 H GLN A 59 10.983 -11.440 -13.496 1.00 0.00 H new ATOM 0 HA GLN A 59 11.284 -13.678 -13.433 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.906 -12.521 -11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.929 -13.287 -10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 59 12.313 -15.515 -11.600 1.00 0.00 H new ATOM 0 HG3 GLN A 59 13.306 -14.742 -12.820 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.344 -14.038 -12.377 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.207 -14.408 -10.881 1.00 0.00 H new ATOM 856 N LEU A 70 3.379 -14.589 -19.000 1.00 0.00 N ATOM 857 CA LEU A 70 4.110 -13.345 -19.168 1.00 0.00 C ATOM 858 C LEU A 70 3.132 -12.231 -19.544 1.00 0.00 C ATOM 859 O LEU A 70 3.434 -11.051 -19.373 1.00 0.00 O ATOM 860 CB LEU A 70 5.251 -13.526 -20.171 1.00 0.00 C ATOM 861 CG LEU A 70 5.584 -12.308 -21.035 1.00 0.00 C ATOM 862 CD1 LEU A 70 5.966 -11.107 -20.167 1.00 0.00 C ATOM 863 CD2 LEU A 70 6.670 -12.642 -22.059 1.00 0.00 C ATOM 0 HA LEU A 70 4.583 -13.051 -18.231 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.148 -13.814 -19.623 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.000 -14.357 -20.830 1.00 0.00 H new ATOM 0 HG LEU A 70 4.689 -12.031 -21.593 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.198 -10.255 -20.806 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.133 -10.853 -19.511 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.839 -11.357 -19.564 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.888 -11.759 -22.660 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.574 -12.959 -21.540 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.323 -13.446 -22.708 1.00 0.00 H new ATOM 875 N THR A 71 1.979 -12.644 -20.049 1.00 0.00 N ATOM 876 CA THR A 71 0.954 -11.696 -20.451 1.00 0.00 C ATOM 877 C THR A 71 0.612 -10.757 -19.292 1.00 0.00 C ATOM 878 O THR A 71 0.266 -9.597 -19.509 1.00 0.00 O ATOM 879 CB THR A 71 -0.249 -12.489 -20.966 1.00 0.00 C ATOM 880 OG1 THR A 71 0.253 -13.178 -22.108 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.348 -11.586 -21.529 1.00 0.00 C ATOM 0 H THR A 71 1.732 -13.624 -20.189 1.00 0.00 H new ATOM 0 HA THR A 71 1.306 -11.052 -21.257 1.00 0.00 H new ATOM 0 HB THR A 71 -0.657 -13.096 -20.158 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.462 -13.719 -22.504 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.178 -12.199 -21.881 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.700 -10.912 -20.748 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.950 -11.003 -22.360 1.00 0.00 H new ATOM 889 N GLU A 72 0.722 -11.295 -18.086 1.00 0.00 N ATOM 890 CA GLU A 72 0.429 -10.520 -16.892 1.00 0.00 C ATOM 891 C GLU A 72 1.351 -9.302 -16.810 1.00 0.00 C ATOM 892 O GLU A 72 0.886 -8.178 -16.624 1.00 0.00 O ATOM 893 CB GLU A 72 0.548 -11.383 -15.635 1.00 0.00 C ATOM 894 CG GLU A 72 -0.661 -12.311 -15.490 1.00 0.00 C ATOM 895 CD GLU A 72 -0.444 -13.322 -14.363 1.00 0.00 C ATOM 896 OE1 GLU A 72 -0.569 -14.535 -14.586 1.00 0.00 O ATOM 897 OE2 GLU A 72 -0.133 -12.808 -13.221 1.00 0.00 O ATOM 0 H GLU A 72 1.010 -12.258 -17.910 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.601 -10.168 -16.955 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.462 -11.975 -15.681 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.627 -10.743 -14.756 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.555 -11.721 -15.287 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.834 -12.838 -16.428 1.00 0.00 H new ATOM 905 N ALA A 73 2.641 -9.566 -16.953 1.00 0.00 N ATOM 906 CA ALA A 73 3.633 -8.505 -16.897 1.00 0.00 C ATOM 907 C ALA A 73 3.406 -7.539 -18.062 1.00 0.00 C ATOM 908 O ALA A 73 3.307 -6.330 -17.859 1.00 0.00 O ATOM 909 CB ALA A 73 5.036 -9.116 -16.912 1.00 0.00 C ATOM 0 H ALA A 73 3.023 -10.499 -17.108 1.00 0.00 H new ATOM 0 HA ALA A 73 3.535 -7.936 -15.972 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.780 -8.320 -16.870 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.157 -9.771 -16.049 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.172 -9.692 -17.827 1.00 0.00 H new ATOM 915 N ARG A 74 3.329 -8.108 -19.255 1.00 0.00 N ATOM 916 CA ARG A 74 3.115 -7.312 -20.452 1.00 0.00 C ATOM 917 C ARG A 74 1.846 -6.469 -20.309 1.00 0.00 C ATOM 918 O ARG A 74 1.783 -5.347 -20.808 1.00 0.00 O ATOM 919 CB ARG A 74 2.991 -8.202 -21.691 1.00 0.00 C ATOM 920 CG ARG A 74 3.418 -7.448 -22.952 1.00 0.00 C ATOM 921 CD ARG A 74 4.609 -8.134 -23.623 1.00 0.00 C ATOM 922 NE ARG A 74 5.637 -8.469 -22.612 1.00 0.00 N ATOM 923 CZ ARG A 74 6.824 -9.020 -22.901 1.00 0.00 C ATOM 924 NH1 ARG A 74 7.140 -9.302 -24.172 1.00 0.00 N ATOM 925 NH2 ARG A 74 7.694 -9.289 -21.918 1.00 0.00 N ATOM 0 H ARG A 74 3.411 -9.111 -19.419 1.00 0.00 H new ATOM 0 HA ARG A 74 3.978 -6.658 -20.574 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.609 -9.091 -21.568 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.961 -8.542 -21.797 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.582 -7.397 -23.650 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.682 -6.422 -22.695 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.278 -9.040 -24.131 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.035 -7.479 -24.383 1.00 0.00 H new ATOM 0 HE ARG A 74 5.429 -8.268 -21.634 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.477 -9.097 -24.920 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.043 -9.721 -24.392 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.453 -9.074 -20.950 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.598 -9.708 -22.137 1.00 0.00 H new ATOM 939 N ASP A 75 0.867 -7.043 -19.625 1.00 0.00 N ATOM 940 CA ASP A 75 -0.396 -6.358 -19.410 1.00 0.00 C ATOM 941 C ASP A 75 -0.215 -5.288 -18.332 1.00 0.00 C ATOM 942 O ASP A 75 -0.905 -4.270 -18.340 1.00 0.00 O ATOM 943 CB ASP A 75 -1.476 -7.332 -18.933 1.00 0.00 C ATOM 944 CG ASP A 75 -2.773 -6.675 -18.455 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.801 -6.715 -19.147 1.00 0.00 O ATOM 946 OD2 ASP A 75 -2.699 -6.097 -17.305 1.00 0.00 O ATOM 0 H ASP A 75 0.923 -7.974 -19.213 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.703 -5.913 -20.356 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.712 -8.017 -19.747 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.069 -7.932 -18.119 1.00 0.00 H new ATOM 952 N ALA A 76 0.718 -5.555 -17.430 1.00 0.00 N ATOM 953 CA ALA A 76 0.999 -4.627 -16.347 1.00 0.00 C ATOM 954 C ALA A 76 1.542 -3.321 -16.929 1.00 0.00 C ATOM 955 O ALA A 76 1.038 -2.242 -16.619 1.00 0.00 O ATOM 956 CB ALA A 76 1.973 -5.275 -15.360 1.00 0.00 C ATOM 0 H ALA A 76 1.289 -6.400 -17.427 1.00 0.00 H new ATOM 0 HA ALA A 76 0.088 -4.390 -15.798 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.184 -4.580 -14.548 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.529 -6.184 -14.954 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.901 -5.524 -15.875 1.00 0.00 H new ATOM 962 N ILE A 77 2.562 -3.460 -17.763 1.00 0.00 N ATOM 963 CA ILE A 77 3.179 -2.304 -18.391 1.00 0.00 C ATOM 964 C ILE A 77 2.266 -1.786 -19.504 1.00 0.00 C ATOM 965 O ILE A 77 2.180 -0.580 -19.732 1.00 0.00 O ATOM 966 CB ILE A 77 4.594 -2.642 -18.864 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.589 -3.875 -19.770 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.544 -2.807 -17.677 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.573 -4.932 -19.263 1.00 0.00 C ATOM 0 H ILE A 77 2.977 -4.356 -18.019 1.00 0.00 H new ATOM 0 HA ILE A 77 3.294 -1.495 -17.670 1.00 0.00 H new ATOM 0 HB ILE A 77 4.964 -1.807 -19.459 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.585 -4.297 -19.810 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.854 -3.585 -20.787 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.543 -3.047 -18.041 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.579 -1.879 -17.107 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.188 -3.613 -17.036 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.550 -5.798 -19.925 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.580 -4.514 -19.247 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.291 -5.238 -18.255 1.00 0.00 H new ATOM 981 N LYS A 78 1.606 -2.723 -20.169 1.00 0.00 N ATOM 982 CA LYS A 78 0.702 -2.377 -21.252 1.00 0.00 C ATOM 983 C LYS A 78 -0.524 -1.662 -20.680 1.00 0.00 C ATOM 984 O LYS A 78 -1.137 -0.836 -21.355 1.00 0.00 O ATOM 985 CB LYS A 78 0.359 -3.616 -22.081 1.00 0.00 C ATOM 986 CG LYS A 78 -0.608 -3.268 -23.215 1.00 0.00 C ATOM 987 CD LYS A 78 -2.061 -3.401 -22.755 1.00 0.00 C ATOM 988 CE LYS A 78 -2.596 -4.808 -23.028 1.00 0.00 C ATOM 989 NZ LYS A 78 -4.073 -4.829 -22.935 1.00 0.00 N ATOM 0 H LYS A 78 1.680 -3.722 -19.978 1.00 0.00 H new ATOM 0 HA LYS A 78 1.183 -1.683 -21.942 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.272 -4.044 -22.495 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.087 -4.376 -21.439 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.422 -2.250 -23.557 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.430 -3.927 -24.065 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.130 -3.182 -21.689 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.679 -2.667 -23.272 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.284 -5.136 -24.019 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.171 -5.510 -22.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.419 -5.792 -23.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.365 -4.536 -21.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.474 -4.174 -23.636 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.844 -2.006 -19.441 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.986 -1.407 -18.770 1.00 0.00 C ATOM 1005 C ASP A 79 -1.624 0.011 -18.325 1.00 0.00 C ATOM 1006 O ASP A 79 -2.369 0.956 -18.582 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.376 -2.208 -17.526 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.361 -1.507 -16.589 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.210 -1.546 -15.359 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.331 -0.894 -17.177 1.00 0.00 O ATOM 0 H ASP A 79 -0.333 -2.691 -18.884 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.822 -1.398 -19.470 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.812 -3.155 -17.844 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.471 -2.445 -16.966 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.480 0.116 -17.664 1.00 0.00 N ATOM 1017 CA ALA A 80 -0.010 1.403 -17.180 1.00 0.00 C ATOM 1018 C ALA A 80 0.256 2.325 -18.372 1.00 0.00 C ATOM 1019 O ALA A 80 -0.181 3.474 -18.382 1.00 0.00 O ATOM 1020 CB ALA A 80 1.233 1.200 -16.311 1.00 0.00 C ATOM 0 H ALA A 80 0.135 -0.670 -17.452 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.768 1.879 -16.558 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.585 2.166 -15.948 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.984 0.563 -15.463 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.017 0.727 -16.902 1.00 0.00 H new ATOM 1026 N TYR A 81 0.972 1.786 -19.348 1.00 0.00 N ATOM 1027 CA TYR A 81 1.302 2.545 -20.542 1.00 0.00 C ATOM 1028 C TYR A 81 0.037 3.063 -21.229 1.00 0.00 C ATOM 1029 O TYR A 81 -0.052 4.243 -21.565 1.00 0.00 O ATOM 1030 CB TYR A 81 2.015 1.569 -21.479 1.00 0.00 C ATOM 1031 CG TYR A 81 3.497 1.366 -21.158 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.906 1.221 -19.848 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.425 1.329 -22.179 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.301 1.031 -19.546 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.820 1.139 -21.877 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.189 0.999 -20.575 1.00 0.00 C ATOM 1037 OH TYR A 81 7.507 0.820 -20.290 1.00 0.00 O ATOM 0 H TYR A 81 1.333 0.832 -19.336 1.00 0.00 H new ATOM 0 HA TYR A 81 1.919 3.408 -20.290 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.509 0.604 -21.435 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.922 1.931 -22.503 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.180 1.250 -19.049 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.105 1.443 -23.204 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.634 0.916 -18.525 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.557 1.108 -22.666 1.00 0.00 H new ATOM 0 HH TYR A 81 7.602 0.501 -19.368 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.909 2.155 -21.417 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.165 2.505 -22.059 1.00 0.00 C ATOM 1049 C GLU A 82 -3.057 3.284 -21.089 1.00 0.00 C ATOM 1050 O GLU A 82 -3.939 4.029 -21.514 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.881 1.258 -22.581 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.140 1.635 -23.363 1.00 0.00 C ATOM 1053 CD GLU A 82 -4.909 0.386 -23.799 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -5.547 -0.273 -22.964 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -4.829 0.109 -25.056 1.00 0.00 O ATOM 0 H GLU A 82 -0.831 1.178 -21.136 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.947 3.143 -22.915 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.207 0.689 -23.222 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.148 0.611 -21.745 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.781 2.264 -22.746 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.866 2.222 -24.239 1.00 0.00 H new ATOM 1063 N SER A 83 -2.797 3.084 -19.806 1.00 0.00 N ATOM 1064 CA SER A 83 -3.565 3.759 -18.773 1.00 0.00 C ATOM 1065 C SER A 83 -3.068 5.196 -18.606 1.00 0.00 C ATOM 1066 O SER A 83 -3.827 6.075 -18.200 1.00 0.00 O ATOM 1067 CB SER A 83 -3.476 3.008 -17.442 1.00 0.00 C ATOM 1068 OG SER A 83 -4.073 3.741 -16.376 1.00 0.00 O ATOM 0 H SER A 83 -2.066 2.464 -19.458 1.00 0.00 H new ATOM 0 HA SER A 83 -4.611 3.777 -19.080 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.969 2.041 -17.538 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.430 2.811 -17.206 1.00 0.00 H new ATOM 0 HG SER A 83 -3.998 3.228 -15.544 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.797 5.390 -18.927 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.191 6.706 -18.817 1.00 0.00 C ATOM 1076 C TYR A 84 -0.808 7.250 -20.195 1.00 0.00 C ATOM 1077 O TYR A 84 -0.283 8.357 -20.306 1.00 0.00 O ATOM 1078 CB TYR A 84 0.080 6.517 -17.986 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.166 6.462 -16.477 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.391 7.627 -15.772 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.162 5.248 -15.821 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.622 7.576 -14.352 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.393 5.197 -14.400 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.612 6.363 -13.736 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.830 6.314 -12.394 1.00 0.00 O ATOM 0 H TYR A 84 -1.171 4.658 -19.263 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.887 7.412 -18.363 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.572 5.595 -18.297 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.768 7.334 -18.202 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.394 8.577 -16.286 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.014 4.336 -16.373 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.799 8.480 -13.788 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.392 4.254 -13.874 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.795 5.383 -12.091 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.086 6.447 -21.211 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.778 6.833 -22.577 1.00 0.00 C ATOM 1097 C CYS A 85 -1.252 8.273 -22.787 1.00 0.00 C ATOM 1098 O CYS A 85 -2.305 8.664 -22.286 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.403 5.874 -23.592 1.00 0.00 C ATOM 1100 SG CYS A 85 -3.227 5.915 -23.451 1.00 0.00 S ATOM 0 H CYS A 85 -1.522 5.530 -21.115 1.00 0.00 H new ATOM 0 HA CYS A 85 0.298 6.777 -22.739 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.102 6.153 -24.602 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.039 4.861 -23.419 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.637 4.859 -22.814 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.450 9.023 -23.530 1.00 0.00 N ATOM 1107 CA GLY A 86 -0.774 10.411 -23.812 1.00 0.00 C ATOM 1108 C GLY A 86 -0.002 11.354 -22.887 1.00 0.00 C ATOM 1109 O GLY A 86 0.344 12.468 -23.278 1.00 0.00 O ATOM 0 H GLY A 86 0.422 8.696 -23.945 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.536 10.640 -24.851 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.845 10.570 -23.688 1.00 0.00 H new ATOM 1113 N ILE A 87 0.245 10.873 -21.678 1.00 0.00 N ATOM 1114 CA ILE A 87 0.970 11.658 -20.693 1.00 0.00 C ATOM 1115 C ILE A 87 2.473 11.537 -20.957 1.00 0.00 C ATOM 1116 O ILE A 87 3.116 10.603 -20.482 1.00 0.00 O ATOM 1117 CB ILE A 87 0.560 11.253 -19.276 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -0.957 11.077 -19.174 1.00 0.00 C ATOM 1119 CG2 ILE A 87 1.092 12.250 -18.245 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -1.358 10.578 -17.785 1.00 0.00 C ATOM 0 H ILE A 87 -0.044 9.949 -21.358 1.00 0.00 H new ATOM 0 HA ILE A 87 0.713 12.713 -20.784 1.00 0.00 H new ATOM 0 HB ILE A 87 1.012 10.287 -19.052 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.452 12.026 -19.380 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.296 10.370 -19.931 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.786 11.939 -17.246 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.180 12.282 -18.298 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.689 13.241 -18.455 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.441 10.461 -17.739 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.881 9.617 -17.592 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.039 11.299 -17.033 1.00 0.00 H new ATOM 1132 N ASP A 88 2.988 12.496 -21.712 1.00 0.00 N ATOM 1133 CA ASP A 88 4.402 12.509 -22.044 1.00 0.00 C ATOM 1134 C ASP A 88 5.190 13.107 -20.877 1.00 0.00 C ATOM 1135 O ASP A 88 6.299 12.664 -20.580 1.00 0.00 O ATOM 1136 CB ASP A 88 4.669 13.365 -23.284 1.00 0.00 C ATOM 1137 CG ASP A 88 4.505 14.872 -23.076 1.00 0.00 C ATOM 1138 OD1 ASP A 88 3.419 15.352 -22.716 1.00 0.00 O ATOM 1139 OD2 ASP A 88 5.564 15.572 -23.304 1.00 0.00 O ATOM 0 H ASP A 88 2.451 13.270 -22.103 1.00 0.00 H new ATOM 0 HA ASP A 88 4.712 11.483 -22.241 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.684 13.169 -23.631 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.994 13.047 -24.079 1.00 0.00 H new ATOM 1145 N ASP A 89 4.587 14.104 -20.247 1.00 0.00 N ATOM 1146 CA ASP A 89 5.219 14.768 -19.119 1.00 0.00 C ATOM 1147 C ASP A 89 4.147 15.463 -18.277 1.00 0.00 C ATOM 1148 O ASP A 89 3.261 16.124 -18.816 1.00 0.00 O ATOM 1149 CB ASP A 89 6.213 15.831 -19.591 1.00 0.00 C ATOM 1150 CG ASP A 89 7.434 15.288 -20.336 1.00 0.00 C ATOM 1151 OD1 ASP A 89 8.040 14.287 -19.925 1.00 0.00 O ATOM 1152 OD2 ASP A 89 7.765 15.948 -21.394 1.00 0.00 O ATOM 0 H ASP A 89 3.667 14.468 -20.496 1.00 0.00 H new ATOM 0 HA ASP A 89 5.748 14.014 -18.537 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.691 16.532 -20.242 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.556 16.396 -18.725 1.00 0.00 H new